2-(1-hydroxyethyl)-6-heptenoic acid | 247216-18-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 2-(1-hydroxyethyl)-6-heptenoic acid
• 英文别名: 2-(1-hydroxyethyl)hept-6-enoic acid
• CAS: 247216-18-8
• 化学式: C₉H₁₆O₃
• 分子量: 172.224
• InChiKey: GSRUYMAEMIDRFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-hydroxyethyl)-6-heptenoic acid 在 苯磺酰氯 作用下， 以 吡啶 为溶剂， 生成 4-Methyl-3-pent-4-enyloxetan-2-one
  参考文献：
  名称：

  Preparation and Properties of 2-Methyleneoxetanes

  摘要：

  The methylenation of beta-lactones 5 with dimethyltitanocene provides a versatile, reliable, and highly chemoselective entry to 2-methyleneoxetanes 7. The conversion proceeds selectively in the presence of alkenes, unprotected alcohols, and a variety of other carbonyl moieties, A study of conditions for the optimization of this reaction is delineated. In addition, the first X-ray structure of a 2-methyleneoxetane, which shows its similarity to related p-lactones, is reported. Reactivity studies of 2-methyleneoxetanes are presented in which it is demonstrated that these compounds are attacked at C-4 with a nucleophile; then, subsequently, the resultant enolate reacted with an electrophile. An interesting dichotomy of reactivity was observed when methyleneoxetane 7c was treated with electrophiles. Reaction of 7c with acetic acid gave acetoxyoxetane 19. When 7c was exposed to bromine, dibromoketone 20 resulted.

  DOI：

  10.1021/jo9906072
• 作为产物：
  描述：

  5-碘-1-戊烯 在 氢氧化钾 、 sodium hydroxide 、 sodium tetrahydroborate 、 四丁基硫酸氢铵 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 25.0h， 生成 2-(1-hydroxyethyl)-6-heptenoic acid
  参考文献：
  名称：

  Preparation and Properties of 2-Methyleneoxetanes

  摘要：

  The methylenation of beta-lactones 5 with dimethyltitanocene provides a versatile, reliable, and highly chemoselective entry to 2-methyleneoxetanes 7. The conversion proceeds selectively in the presence of alkenes, unprotected alcohols, and a variety of other carbonyl moieties, A study of conditions for the optimization of this reaction is delineated. In addition, the first X-ray structure of a 2-methyleneoxetane, which shows its similarity to related p-lactones, is reported. Reactivity studies of 2-methyleneoxetanes are presented in which it is demonstrated that these compounds are attacked at C-4 with a nucleophile; then, subsequently, the resultant enolate reacted with an electrophile. An interesting dichotomy of reactivity was observed when methyleneoxetane 7c was treated with electrophiles. Reaction of 7c with acetic acid gave acetoxyoxetane 19. When 7c was exposed to bromine, dibromoketone 20 resulted.

  DOI：

  10.1021/jo9906072

文献信息

• Novel substituted imidazotriazinones
  申请人：Niewohner Ulrich

  公开号：US20050009822A1

  公开（公告）日：2005-01-13

  The invention relates to novel substituted imidazotriazinones, to a method for their production and to the use thereof for producing medicaments, in particular to improve perception, powers of concentration, learning capacity and/or memory retentiveness.

  本发明涉及新型取代咪唑三嗪酮，以及它们的制备方法和用于制备药物的用途，特别是用于改善感知、注意力、学习能力和/或记忆保持力。
• Substituted imidazotriazinones
  申请人：Bayer Aktiengesellschaft

  公开号：US06998402B2

  公开（公告）日：2006-02-14

  The invention relates to novel substituted imidazotriazinones, to a method for their production and to the use thereof for producing medicaments, in particular to improve perception, powers of concentration, learning capacity and/or memory retentiveness.

  本发明涉及新型取代咪唑三嗪酮化合物，其生产方法和用于制备药物的应用，特别是用于改善感知、注意力、学习能力和/或记忆保持力。
• NEUE SUBSTITUIERTE IMIDAZOTRIAZINONE
  申请人：Bayer Aktiengesellschaft

  公开号：EP1363912A1

  公开（公告）日：2003-11-26
• SUBSTITUIERTE IMIDAZOTRIAZINONE
  申请人：Bayer HealthCare AG

  公开号：EP1363912B1

  公开（公告）日：2006-05-24
• US6998402B2
  申请人：——

  公开号：US6998402B2

  公开（公告）日：2006-02-14